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Home > Fluorides > 1215206-36-2
1215206-36-2 | 2,1,3-Benzothiadiazole, 5-(trifluoromethoxy)-
CAS No: 1215206-36-2 Catalog No: AG00156T MDL No:MFCD15143554
Product Description
Catalog Number:
AG00156T
Chemical Name:
2,1,3-Benzothiadiazole, 5-(trifluoromethoxy)-
CAS Number:
1215206-36-2
Molecular Formula:
C7H3F3N2OS
Molecular Weight:
220.1717
MDL Number:
MFCD15143554
IUPAC Name:
5-(trifluoromethoxy)-2,1,3-benzothiadiazole
InChI:
InChI=1S/C7H3F3N2OS/c8-7(9,10)13-4-1-2-5-6(3-4)12-14-11-5/h1-3H
InChI Key:
PMFZQWARKYEPDS-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc2c(c1)nsn2)(F)F
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.992g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.169g/mol
Monoisotopic Mass:
219.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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